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Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-1-yl]acetamide N-[(1S,3R)-3-methylcyclohexyl]-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 3.29 -19.74 1 6 0 48 354.52 5 ↓
Lo Low (pH 4.5-6) 2.02 5.73 -49.22 2 6 1 49 355.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-1-yl]acetamide N-[(1S,3S)-3-methylcyclohexyl]-2…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 3.55 -16.93 1 6 0 48 354.52 5 ↓
Lo Low (pH 4.5-6) 2.02 5.95 -49.9 2 6 1 49 355.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-1-yl]acetamide N-[(1R,3R)-3-methylcyclohexyl]-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 3.54 -16.74 1 6 0 48 354.52 5 ↓
Lo Low (pH 4.5-6) 2.02 5.96 -49.78 2 6 1 49 355.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-2-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-1-yl]acetamide N-[(1R,3S)-3-methylcyclohexyl]-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 3.29 -19.7 1 6 0 48 354.52 5 ↓
Lo Low (pH 4.5-6) 2.02 5.73 -49.16 2 6 1 49 355.528 5 ↓

Parameters Provided:

ring.id = 298832
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 298832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=298832&filter.purchasability=annotated

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